methyl 2-[[(3S)-3-morpholin-4-ylpiperidine-1-carbonyl]amino]benzoate

C18H25N3O4 — CID 31015711

IUPACmethyl 2-[[(3S)-3-morpholin-4-ylpiperidine-1-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)N1CCC[C@H](N2CCOCC2)C1
InChIInChI=1S/C18H25N3O4/c1-24-17(22)15-6-2-3-7-16(15)19-18(23)21-8-4-5-14(13-21)20-9-11-25-12-10-20/h2-3,6-7,14H,4-5,8-13H2,1H3,(H,19,23)/t14-/m0/s1
InChIKeyQCPYKRUJVLKJHF-AWEZNQCLSA-N
MW347.42 g/mol
LogP1.80
Rot. Bonds3

About methyl 2-[[(3S)-3-morpholin-4-ylpiperidine-1-carbonyl]amino]benzoate

methyl 2-[[(3S)-3-morpholin-4-ylpiperidine-1-carbonyl]amino]benzoate (PubChem CID 31015711) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is methyl 2-[[(3S)-3-morpholin-4-ylpiperidine-1-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[(3S)-3-morpholin-4-ylpiperidine-1-carbonyl]amino]benzoate
PubChem CID31015711
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Namemethyl 2-[[(3S)-3-morpholin-4-ylpiperidine-1-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)N1CCC[C@H](N2CCOCC2)C1
InChIInChI=1S/C18H25N3O4/c1-24-17(22)15-6-2-3-7-16(15)19-18(23)21-8-4-5-14(13-21)20-9-11-25-12-10-20/h2-3,6-7,14H,4-5,8-13H2,1H3,(H,19,23)/t14-/m0/s1
InChIKeyQCPYKRUJVLKJHF-AWEZNQCLSA-N
XLogP1.80
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-(5-chloro-2-methoxyphenyl)-3-morpholin-4-ylpiperidine-1-carboxamide
CID 25302330
methyl 2-[[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]amino]benzoate
CID 55536184
methyl 2-[[3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]benzoate
CID 23994751
methyl 2-[[3-(4-methoxyanilino)piperidine-1-carbonyl]amino]benzoate
CID 45227955
methyl 2-[(4-cycloheptylpiperazine-1-carbothioyl)amino]benzoate
CID 5172979
(9aS)-N-(2-propan-2-ylphenyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carboxamide
CID 72846677
(3R)-N-(3-acetylphenyl)-3-morpholin-4-ylpiperidine-1-carboxamide
CID 29022203
ethyl 2-[(4-cyclopentylpiperazine-1-carbonyl)amino]benzoate
CID 113104471
methyl 2-[(2,2-dimethyl-3-morpholin-4-yl-3-oxopropanoyl)amino]benzoate
CID 108959939
methyl 2-[[(3R)-3-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]amino]benzoate
CID 25460964
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-morpholin-4-ylpiperidine-1-carboxamide
CID 45237197
methyl 5-chloro-2-methoxy-4-[(3-pyrrolidin-1-ylpiperidine-1-carbonyl)amino]benzoate
CID 47050002

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(3S)-3-morpholin-4-ylpiperidine-1-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[(3S)-3-morpholin-4-ylpiperidine-1-carbonyl]amino]benzoate (CID 31015711) is methyl 2-[[(3S)-3-morpholin-4-ylpiperidine-1-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[(3S)-3-morpholin-4-ylpiperidine-1-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[(3S)-3-morpholin-4-ylpiperidine-1-carbonyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)N1CCC[C@H](N2CCOCC2)C1.
What is the InChIKey of methyl 2-[[(3S)-3-morpholin-4-ylpiperidine-1-carbonyl]amino]benzoate?
The InChIKey is QCPYKRUJVLKJHF-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-24-17(22)15-6-2-3-7-16(15)19-18(23)21-8-4-5-14(13-21)20-9-11-25-12-10-20/h2-3,6-7,14H,4-5,8-13H2,1H3,(H,19,23)/t14-/m0/s1.
What are the key properties of methyl 2-[[(3S)-3-morpholin-4-ylpiperidine-1-carbonyl]amino]benzoate?
methyl 2-[[(3S)-3-morpholin-4-ylpiperidine-1-carbonyl]amino]benzoate has a molecular weight of 347.42 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(3S)-3-morpholin-4-ylpiperidine-1-carbonyl]amino]benzoate is sourced from PubChem (CID 31015711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).